3-Chloro-5-iodobenzoic Acid - CAS 289039-25-4

Catalog:	BB020002
Product Name:	3-Chloro-5-iodobenzoic Acid
CAS:	289039-25-4
Synonyms:	3-chloro-5-iodobenzoic acid; 3-chloro-5-iodobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-5-iodobenzoic acid
Description:	3-Chloro-5-iodobenzoic Acid (CAS# 289039-25-4) is a useful research chemical.
Molecular Weight:	282.46
Molecular Formula:	C7H4ClIO2
Canonical SMILES:	C1=C(C=C(C=C1Cl)I)C(=O)O
InChI:	InChI=1S/C7H4ClIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChI Key:	LFLGQMGSWYRAMO-UHFFFAOYSA-N
Boiling Point:	360.5 °C at 760 mmHg
Density:	2.077 g/cm³
Appearance:	Off-white to light orange powder
MDL:	MFCD00672966
LogP:	2.64280

Publication Number	Title	Priority Date
WO-2020207941-A1	Heterocyclic compounds as inhibitors of monoacylglycerol lipase (magl)	20190409
TW-202104236-A	New heterocyclic compounds	20190409
WO-2020117877-A1	Compounds, compositions and methods of use	20181204
EP-3632910-A1	Lactam compound as fxr receptor agonist	20170526
AU-2018222073-A1	O-aminoheteroaryl alkynyl-containing compound, preparation method therefor, and use thereof	20170220

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	281.89445
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	281.89445
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7